4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole

C13H20N2S — CID 100903513

IUPAC4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCC3(CCC3)C2)cs1
InChIInChI=1S/C13H20N2S/c1-11-14-12(9-16-11)3-7-15-8-6-13(10-15)4-2-5-13/h9H,2-8,10H2,1H3
InChIKeyYEWYMZJZOWKUAX-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.87
Rot. Bonds3

About 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole

4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 100903513) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID100903513
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCC3(CCC3)C2)cs1
InChIInChI=1S/C13H20N2S/c1-11-14-12(9-16-11)3-7-15-8-6-13(10-15)4-2-5-13/h9H,2-8,10H2,1H3
InChIKeyYEWYMZJZOWKUAX-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane
CID 91836716
2-methyl-4-[2-(10-propan-2-yl-3-azaspiro[5.5]undecan-3-yl)ethyl]-1,3-thiazole
CID 155632192
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043482
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144
(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482586
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744855
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole (CID 100903513) is 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CCC3(CCC3)C2)cs1.
What is the InChIKey of 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is YEWYMZJZOWKUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11-14-12(9-16-11)3-7-15-8-6-13(10-15)4-2-5-13/h9H,2-8,10H2,1H3.
What are the key properties of 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 100903513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).